CID 6165210

2-((4-ethyl-5-(4-methoxyphenyl)-4h-1,2,4-triazol-3-yl)sulfanyl)-n'-((e)-1-(2-naphthyl)ethylidene)acetohydrazide

Structural Information

Molecular Formula
C25H25N5O2S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C(/C)\C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H25N5O2S/c1-4-30-24(19-11-13-22(32-3)14-12-19)28-29-25(30)33-16-23(31)27-26-17(2)20-10-9-18-7-5-6-8-21(18)15-20/h5-15H,4,16H2,1-3H3,(H,27,31)/b26-17-
InChIKey
CNKFHDOSGBGQFI-ONUIUJJFSA-N
Compound name
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.17288 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.18016 211.3
[M+Na]+ 482.16210 219.0
[M-H]- 458.16560 219.9
[M+NH4]+ 477.20670 219.1
[M+K]+ 498.13604 212.1
[M+H-H2O]+ 442.17014 200.1
[M+HCOO]- 504.17108 228.6
[M+CH3COO]- 518.18673 219.7
[M+Na-2H]- 480.14755 212.3
[M]+ 459.17233 218.3
[M]- 459.17343 218.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.